≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | B(C1=CC=C(C=C1)S(=O)C)(O)O |
|---|---|
| IUPAC Name | (4-methylsulfinylphenyl)boronic acid |
| InChIKey | YOTGALZTDVXUKZ-UHFFFAOYSA-N |
| INCHI | 1S/C7H9BO3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3 |
| Isomeric SMILES | B(C1=CC=C(C=C1)S(=O)C)(O)O |
| Molecular Weight | 184 |
| Reaxy-Rn | 14255025 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14255025&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenyl sulfoxides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl sulfoxides |
| Alternative Parents | Sulfoxides Boronic acids Sulfinyl compounds Organic metalloid salts Organoboron compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenyl sulfoxide - Sulfoxide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organoboron compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 184.030 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 184.037 Da |
| Monoisotopic Mass | 184.037 Da |
| Topological Polar Surface Area | 76.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 166.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
